N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide

C20H24N4O3S — CID 53155202

IUPACN-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCc2ccccc2)c1C
InChIInChI=1S/C20H24N4O3S/c1-4-24-13(2)17(20-22-19(23-27-20)16-10-11-16)18(14(24)3)28(25,26)21-12-15-8-6-5-7-9-15/h5-9,16,21H,4,10-12H2,1-3H3
InChIKeyHWRMKKRLIXCOAD-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.53
Rot. Bonds7

About N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide

N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide (PubChem CID 53155202) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide
PubChem CID53155202
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCc2ccccc2)c1C
InChIInChI=1S/C20H24N4O3S/c1-4-24-13(2)17(20-22-19(23-27-20)16-10-11-16)18(14(24)3)28(25,26)21-12-15-8-6-5-7-9-15/h5-9,16,21H,4,10-12H2,1-3H3
InChIKeyHWRMKKRLIXCOAD-UHFFFAOYSA-N
XLogP3.53
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide?
The IUPAC name of N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide (CID 53155202) is N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide is CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCc2ccccc2)c1C.
What is the InChIKey of N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide?
The InChIKey is HWRMKKRLIXCOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-4-24-13(2)17(20-22-19(23-27-20)16-10-11-16)18(14(24)3)28(25,26)21-12-15-8-6-5-7-9-15/h5-9,16,21H,4,10-12H2,1-3H3.
What are the key properties of N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide?
N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53155202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).